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Compile Data Set for Download or QSAR

Found 3244 hits Enz. Inhib. hit(s) with Target = 'RAF proto-oncogene serine/threonine-protein kinase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50092014
PNG
(Butyric acid (1aS,1bS,4aS,7aS,8R,9S,9aR)-9-butyryl...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26+,27-,28-/m1/s1
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n/an/an/a 0.280n/an/an/an/an/a



National Cancer Institute





ACS Chem Biol 8: 767-77 (2013)


Article DOI: 10.1021/cb300671s
BindingDB Entry DOI: 10.7270/Q20V8BF7
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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n/an/an/a 0.280n/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for human Protein kinase C alpha with [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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n/an/an/a 0.280n/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCalpha (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Eur J Med Chem 90: 332-41 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.025
BindingDB Entry DOI: 10.7270/Q2930VV0
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM102423
PNG
(Bryostatin | Bryostatin 7)
Show SMILES COC(=O)\C=C1\C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(C)=O)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C[C@@H]3C\C(=C/C(=O)OC)[C@H](OC(C)=O)[C@@](O)(O3)C(C)(C)\C=C\[C@@H](C1)O2)[C@@H](C)O
Show InChI InChI=1S/C41H60O17/c1-22(42)32-19-29-15-26(16-35(47)52-9)37(54-24(3)44)41(50,58-29)38(4,5)11-10-28-12-25(14-34(46)51-8)13-31(55-28)21-40(49)39(6,7)33(53-23(2)43)20-30(57-40)17-27(45)18-36(48)56-32/h10-11,14,16,22,27-33,37,42,45,49-50H,12-13,15,17-21H2,1-9H3/b11-10+,25-14+,26-16+/t22-,27-,28+,29+,30-,31+,32-,33+,37+,40+,41-/m1/s1
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n/an/an/a 0.440n/an/an/an/an/a



National Cancer Institute





ACS Chem Biol 8: 767-77 (2013)


Article DOI: 10.1021/cb300671s
BindingDB Entry DOI: 10.7270/Q20V8BF7
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50258529
PNG
(CHEMBL449158 | bryostatin 1)
Show SMILES CCC\C=C\C=C\C(=O)O[C@H]1\C(C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O)=C\C(=O)OC
Show InChI InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1
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n/an/an/a 0.730n/an/an/an/an/a



National Cancer Institute





ACS Chem Biol 8: 767-77 (2013)


Article DOI: 10.1021/cb300671s
BindingDB Entry DOI: 10.7270/Q20V8BF7
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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n/an/an/a 0.800n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Dissociation constant for Protein kinase C alpha


J Med Chem 39: 2541-53 (1996)


Article DOI: 10.1021/jm950403n
BindingDB Entry DOI: 10.7270/Q2930TT4
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/an/a>1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a>1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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n/an/an/a 1.10n/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C epsilon C1b domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


Article DOI: 10.1016/s0960-894x(00)00411-x
BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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n/an/an/a 1.10n/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Binding affinity to PKCalpha-C1A domain peptide using [3H]-labeled compound


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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n/an/an/a 1.10n/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKC alpha C1A peptide


Bioorg Med Chem Lett 20: 6064-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.051
BindingDB Entry DOI: 10.7270/Q2FJ2H04
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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n/an/an/a 1.10n/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity for protein kinase C Alpha-C1A domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00637-1
BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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n/an/an/a 1.40n/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCalpha (unknown origin) in presence of nuclear membrane mimetic lipid mixture


Eur J Med Chem 90: 332-41 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.025
BindingDB Entry DOI: 10.7270/Q2930VV0
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM92594
PNG
(Phorbol ester (PDBU))
Show SMILES CCCC(=O)O[C@@H]1[C@H](C)[C@@]2(O)C3C=C(C)C(=O)[C@@]3(O)CC(=O)CC2C2C(C)(C)[C@@]12OC(=O)CCC
Show InChI InChI=1S/C27H38O8/c1-7-9-19(29)34-23-15(4)26(33)17(21-24(5,6)27(21,23)35-20(30)10-8-2)12-16(28)13-25(32)18(26)11-14(3)22(25)31/h11,15,17-18,21,23,32-33H,7-10,12-13H2,1-6H3/t15-,17?,18?,21?,23+,25+,26-,27-/m0/s1
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n/an/an/a 3.40n/an/an/a7.418



National Institutes of Health



Assay Description
[3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.


J Biol Chem 283: 10543-9 (2008)


Article DOI: 10.1074/jbc.M707463200
BindingDB Entry DOI: 10.7270/Q2CF9NQ6
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/an/a 6.40n/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Binding affinity to PKCalpha (unknown origin) using Lys-Arg-Thr-Leu-Arg-Arg as substrate after 8 mins in presence of [gamma-32P]ATP by liquid scintil...


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM25628
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2
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n/an/an/a 6.60n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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n/an/an/a 7.40n/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity for Protein kinase C alpha C1b domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


Article DOI: 10.1016/s0960-894x(00)00411-x
BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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n/an/an/a 7.40n/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C Alpha-C1A domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00637-1
BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/an/a 23n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50382959
PNG
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
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n/an/an/a 39n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Inhibition of CRAF in human HEK293 cells after 1 hr by competition binding assay


J Med Chem 55: 1082-105 (2012)


Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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n/an/an/a 47n/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from Protein kinase C alpha C1b domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


Article DOI: 10.1016/s0960-894x(99)00263-2
BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/an/a 50n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for PRKACA; NA=Not Active at 10 uM


Nat Biotechnol 23: 329-36 (2005)


Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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n/an/an/a 170n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 220n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to PKAC-alpha


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 230n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 230n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to RAF1


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 230n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RAF1 kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333551
PNG
((S)-1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-metho...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1O[C@H]1CCNC1
Show InChI InChI=1S/C27H30N6O5/c1-27(2,3)23-13-24(33-38-23)32-26(34)31-16-6-5-7-17(10-16)37-25-19-11-21(35-4)22(12-20(19)29-15-30-25)36-18-8-9-28-14-18/h5-7,10-13,15,18,28H,8-9,14H2,1-4H3,(H2,31,32,33,34)/t18-/m0/s1
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333638
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1OC
Show InChI InChI=1S/C23H22FN5O4S/c1-23(2,24)19-11-20(33-29-19)28-22(30)27-13-6-5-7-14(8-13)34-21-15-9-17(31-3)18(32-4)10-16(15)25-12-26-21/h5-12H,1-4H3,(H2,27,28,30)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333642
PNG
(1-[5-(1,3- difluoro-2- methylpropan- 2- yl)isoxazo...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC
Show InChI InChI=1S/C24H23F2N5O4S/c1-24(11-25,12-26)20-10-21(31-35-20)30-23(32)29-14-5-4-6-15(7-14)36-22-16-8-18(33-2)19(34-3)9-17(16)27-13-28-22/h4-10,13H,11-12H2,1-3H3,(H2,29,30,31,32)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333644
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H19F3N6O3S/c1-31-19(10-18(30-31)22(23,24)25)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11H,1-3H3,(H2,28,29,32)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333645
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)NC4=CC(=[N](C)N4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H20F3N6O3S/c1-31-18(22(23,24)25)10-19(30-31)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11,30H,1-3H3,(H2,28,29,32)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333652
PNG
(1-(5- cyclopentyl- isoxazol- 3-yl)- 3-(3-(6,7- dim...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC
Show InChI InChI=1S/C25H25N5O4S/c1-32-21-11-18-19(12-22(21)33-2)26-14-27-24(18)35-17-9-5-8-16(10-17)28-25(31)29-23-13-20(34-30-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(H2,28,29,30,31)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333520
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-(3-(4-(2-...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCN(CCO)CC1
Show InChI InChI=1S/C32H41N7O5S/c1-32(2,3)28-20-29(37-44-28)36-31(41)35-22-7-5-8-23(17-22)45-30-24-18-27(26(42-4)19-25(24)33-21-34-30)43-16-6-9-38-10-12-39(13-11-38)14-15-40/h5,7-8,17-21,40H,6,9-16H2,1-4H3,(H2,35,36,37,41)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333521
PNG
(1-(5-tert- butyl- isoxazol-3- yl)-3-(3-{6- [3-(1,1...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C30H36N6O6S2/c1-30(2,3)26-18-27(35-42-26)34-29(37)33-20-7-5-8-21(15-20)43-28-22-16-25(24(40-4)17-23(22)31-19-32-28)41-12-6-9-36-10-13-44(38,39)14-11-36/h5,7-8,15-19H,6,9-14H2,1-4H3,(H2,33,34,35,37)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333522
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C30H36N6O5S/c1-30(2,3)26-18-27(35-41-26)34-29(37)33-20-7-5-8-21(15-20)42-28-22-16-25(24(38-4)17-23(22)31-19-32-28)40-12-6-9-36-10-13-39-14-11-36/h5,7-8,15-19H,6,9-14H2,1-4H3,(H2,33,34,35,37)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333502
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCS(C)(=O)=O
Show InChI InChI=1S/C27H31N5O6S2/c1-27(2,3)23-15-24(32-38-23)31-26(33)30-17-8-6-9-18(12-17)39-25-19-13-22(37-10-7-11-40(5,34)35)21(36-4)14-20(19)28-16-29-25/h6,8-9,12-16H,7,10-11H2,1-5H3,(H2,30,31,32,33)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333712
PNG
(1-(3-(6- thoxy-7- methoxy- quinazolin- 4- ylthio)p...)
Show SMILES CCOc1cc2c(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)ncnc2cc1OC
Show InChI InChI=1S/C25H24F3N5O4S/c1-5-36-19-10-16-17(11-18(19)35-4)29-13-30-22(16)38-15-8-6-7-14(9-15)31-23(34)32-21-12-20(37-33-21)24(2,3)25(26,27)28/h6-13H,5H2,1-4H3,(H2,31,32,33,34)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333713
PNG
(1-(3-(7- hydroxy-6- methoxy- quinazolin- 4- yloxy)...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)ncnc2cc1O
Show InChI InChI=1S/C23H20F3N5O5/c1-22(2,23(24,25)26)18-10-19(31-36-18)30-21(33)29-12-5-4-6-13(7-12)35-20-14-8-17(34-3)16(32)9-15(14)27-11-28-20/h4-11,32H,1-3H3,(H2,29,30,31,33)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333700
PNG
(1-(4- methoxy-3- (trifluoromethyl) phenyl)-3-(3-(6...)
Show SMILES COc1ccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OCCN5CCOCC5)c(OC)cc34)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H30F3N5O6/c1-40-25-7-6-20(15-23(25)30(31,32)33)37-29(39)36-19-4-3-5-21(14-19)44-28-22-16-26(41-2)27(17-24(22)34-18-35-28)43-13-10-38-8-11-42-12-9-38/h3-7,14-18H,8-13H2,1-2H3,(H2,36,37,39)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333561
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-hydroxy- ...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1O
Show InChI InChI=1S/C23H23N5O5/c1-23(2,3)19-11-20(28-33-19)27-22(30)26-13-6-5-7-14(8-13)32-21-15-9-17(29)18(31-4)10-16(15)24-12-25-21/h5-12,29H,1-4H3,(H2,26,27,28,30)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333563
PNG
((S)-1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-metho...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC1CCN(C)C1
Show InChI InChI=1S/C28H32N6O5/c1-28(2,3)24-14-25(33-39-24)32-27(35)31-17-7-6-8-18(11-17)38-26-20-12-23(37-19-9-10-34(4)15-19)22(36-5)13-21(20)29-16-30-26/h6-8,11-14,16,19H,9-10,15H2,1-5H3,(H2,31,32,33,35)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333564
PNG
((S)-1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-(1-(2...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1O[C@H]1CCN(CC(F)F)C1
Show InChI InChI=1S/C29H32F2N6O5/c1-29(2,3)24-13-26(36-42-24)35-28(38)34-17-6-5-7-18(10-17)41-27-20-11-23(22(39-4)12-21(20)32-16-33-27)40-19-8-9-37(14-19)15-25(30)31/h5-7,10-13,16,19,25H,8-9,14-15H2,1-4H3,(H2,34,35,36,38)/t19-/m0/s1
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333565
PNG
((S)-1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-(2- h...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC[C@@H](O)CN1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O6/c1-31(2,3)27-16-28(36-44-27)35-30(40)34-20-7-6-8-22(13-20)43-29-23-14-26(25(41-5)15-24(23)32-19-33-29)42-18-21(39)17-38-11-9-37(4)10-12-38/h6-8,13-16,19,21,39H,9-12,17-18H2,1-5H3,(H2,34,35,36,40)/t21-/m0/s1
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333567
PNG
((1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)-c4ccccc4)c3)c2cc1OC
Show InChI InChI=1S/C26H21N5O5/c1-33-22-12-19-20(13-23(22)34-2)27-15-28-25(19)35-18-10-6-9-17(11-18)29-26(32)30-24-14-21(36-31-24)16-7-4-3-5-8-16/h3-15H,1-2H3,(H2,29,30,31,32)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333571
PNG
(1-(3-tert- butylphenyl)- 3-(3-(6,7- dimethoxy- qui...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C27H28N4O4/c1-27(2,3)17-8-6-9-18(12-17)30-26(32)31-19-10-7-11-20(13-19)35-25-21-14-23(33-4)24(34-5)15-22(21)28-16-29-25/h6-16H,1-5H3,(H2,30,31,32)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333573
PNG
(1-(3-tert- butylphenyl)- 3-(3-(6,7- dimethoxy- qui...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C)c3)c2cc1OC
Show InChI InChI=1S/C27H28N4O3S/c1-27(2,3)17-8-6-9-18(12-17)30-26(32)31-19-10-7-11-20(13-19)35-25-21-14-23(33-4)24(34-5)15-22(21)28-16-29-25/h6-16H,1-5H3,(H2,30,31,32)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333574
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H23N5O5/c1-13(2)17-11-21(33-28-17)27-23(29)26-14-6-5-7-15(8-14)32-22-16-9-19(30-3)20(31-4)10-18(16)24-12-25-22/h5-13H,1-4H3,(H2,26,27,29)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333576
PNG
(1-(3- cyclopropyl- isoxazol- 5- yl)-3-(3-(6,7- dim...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C4CC4)c3)c2cc1OC
Show InChI InChI=1S/C23H21N5O5/c1-30-19-9-16-18(10-20(19)31-2)24-12-25-22(16)32-15-5-3-4-14(8-15)26-23(29)27-21-11-17(28-33-21)13-6-7-13/h3-5,8-13H,6-7H2,1-2H3,(H2,26,27,29)
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AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333706
PNG
(1-(5-tert-butyl- isoxazol-3- yl)-3-(3-{7- [3-(1,1-...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C30H36N6O7S/c1-30(2,3)26-18-27(35-43-26)34-29(37)33-20-7-5-8-21(15-20)42-28-22-16-24(40-4)25(17-23(22)31-19-32-28)41-12-6-9-36-10-13-44(38,39)14-11-36/h5,7-8,15-19H,6,9-14H2,1-4H3,(H2,33,34,35,37)
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n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
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